SCHEMBL17491531

SCHEMBL17491531

OC1CCN(c2cc(C(F)(F)F)cc(-c3cnco3)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 4/20 0.44
▸ SLC6A3 Q01959 2/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ IDH2 P48735 4/20 0.39
▸ RAF1 P04049 2/20 0.38
▸ BRAF P15056 2/20 0.38
▸ RHOA P61586 1/20 0.38
▸ TACR1 P25103 3/20 0.36
▸ TACR3 P29371 3/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PRKD1 Q15139 1/20 0.36
▸ PRKD2 Q9BZL6 1/20 0.36
▸ ITGB2 P05107 3/20 0.35
▸ ICAM1 P05362 3/20 0.35
▸ ITGAL P20701 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17491500 0.94 PRKD1 (0.39) METAP2SLC6A3GABRA1IDH2RAF1
SCHEMBL17491454 0.84 MAP3K12 (0.37) METAP2RHOAAKT1PIK3CAMTOR
SCHEMBL17491528 0.82 AKT1 (0.38) METAP2RHOAAKT1PIK3CAMTOR
SCHEMBL17491552 0.82 SYK (0.47) RHOAITGB2ICAM1ITGAL
SCHEMBL17491511 0.81 RHOA (0.33) METAP2SLC6A3GABRA1RHOAAKT1
SCHEMBL17491485 0.81 HPGD (0.43) METAP2SLC6A3GABRA1IDH2RAF1
SCHEMBL17491550 0.80 NPSR1 (0.42) METAP2IDH2RAF1BRAF
SCHEMBL17491391 0.80 SMO (0.46) RHOAAKT1
SCHEMBL17491532 0.79 RHOA (0.40) METAP2SLC6A3GABRA1IDH2RHOA
SCHEMBL17491466 0.79 RHOA (0.40) METAP2SLC6A3GABRA1IDH2RHOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982670-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-07 — — EP disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-20160052897-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-25 — — US disclosed
EP-2982670-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
EP-2982670-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160052897-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 METAP2 2639/4885SLC6A3 2689/4885GABRA1 139/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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